General Information of the Compound
| Compound ID |
CP0535363
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| Compound Name |
(S)-Piperazine-1,2,4-tricarboxylic acid 2-[(2-amino-ethyl)-amide] 4-dipentylamide 1-diphenylamide
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| Structure |
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| Formula |
C31H46N6O3
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| Molecular Weight |
550.748
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| Canonical SMILES |
CCCCCN(CCCCC)C(=O)N1CCN([C@@H](C1)C(=O)NCCN)C(=O)N(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H46N6O3/c1-3-5-13-21-34(22-14-6-4-2)30(39)35-23-24-36(28(25-35)29(38)33-20-19-32)31(40)37(26-15-9-7-10-16-26)27-17-11-8-12-18-27/h7-12,15-18,28H,3-6,13-14,19-25,32H2,1-2H3,(H,33,38)/t28-/m0/s1
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| InChIKey |
LZHOBSTWTIKCGR-NDEPHWFRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound